1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

C13H17NO4 — CID 113312008

IUPAC1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1oc(C)c(C(=O)NCC2(C(=O)O)CC2)c1C
InChIInChI=1S/C13H17NO4/c1-7-8(2)18-9(3)10(7)11(15)14-6-13(4-5-13)12(16)17/h4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyLKDTYJUPDFIUIR-UHFFFAOYSA-N
MW251.28 g/mol
LogP1.80
Rot. Bonds4

About 1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid

1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (PubChem CID 113312008) has the molecular formula C13H17NO4 and a molecular weight of 251.28 g/mol. Its IUPAC name is 1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
PubChem CID113312008
Molecular FormulaC13H17NO4
Molecular Weight251.28 g/mol
Exact Mass251.12
IUPAC Name1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
SMILESCc1oc(C)c(C(=O)NCC2(C(=O)O)CC2)c1C
InChIInChI=1S/C13H17NO4/c1-7-8(2)18-9(3)10(7)11(15)14-6-13(4-5-13)12(16)17/h4-6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyLKDTYJUPDFIUIR-UHFFFAOYSA-N
XLogP1.80
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 80712282
1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449567
4-[[(3-ethyl-5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 115438216
1-[[(5-methylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 114819162
1-[[(2,6-dimethylbenzoyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 113352844
1-[[(4-methyl-6-oxo-2-propan-2-yl-1H-pyrimidine-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 136952749
3-methoxy-4-[(2,4,5-trimethylfuran-3-carbonyl)amino]butanoic acid
CID 103153260
1-[[(4-methyl-1,2-oxazole-5-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449811
1-[[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81361778
1-[[(5-methyl-2-phenyl-1,3-oxazole-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 120543649
1-[[(1,3,5-trimethylpyrazole-4-carbonyl)amino]methyl]cyclobutane-1-carboxylic acid
CID 81362336
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407

Frequently Asked Questions

What is the IUPAC name of 1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid (CID 113312008) is 1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is Cc1oc(C)c(C(=O)NCC2(C(=O)O)CC2)c1C.
What is the InChIKey of 1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
The InChIKey is LKDTYJUPDFIUIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO4/c1-7-8(2)18-9(3)10(7)11(15)14-6-13(4-5-13)12(16)17/h4-6H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid?
1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 251.28 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2,4,5-trimethylfuran-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 113312008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).